Information card for entry 1553327

Structure parameters

• Formula: C20 H34 O5
• Calculated formula: C20 H34 O5
• SMILES: O[C@]12C[C@]3([C@H](C(=C)[C@@H]4[C@H]([C@@H](O)C([C@H](O)C4)(C)C)C3)CC1)C[C@]2(O)C.O
• Title of publication: Antinociceptive Diterpenoids from the Leaves and Twigs of Rhododendron decorum.
• Authors of publication: Zhu, Yu-Xun; Zhang, Zhao-Xin; Yan, Hui-Min; Lu, Di; Zhang, Huan-Ping; Li, Li; Liu, Yun-Bao; Li, Yong
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 5
• Pages of publication: 1183 - 1192
• a: 6.6038 ± 0.0006 Å
• b: 20.8285 ± 0.0014 Å
• c: 7.1958 ± 0.0006 Å
• α: 90°
• β: 112.565 ± 0.01°
• γ: 90°
• Cell volume: 913.99 ± 0.14 ų
• Cell temperature: 105.5 K
• Ambient diffraction temperature: 105.5 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No